2-Chloro-5-iodophenol - ≥98% , CAS No.289039-26-5

CAS: 289039-26-5 Cat. No.: C183453 Peso molecular: 254.5 Número EC: 868-772-9

GRADE & PURITY ≥98%

Synonyms

2-chloro-5-iodophenol|289039-26-5|Phenol, 2-chloro-5-iodo-|MFCD00672969|2-Chloro-5-iodopenol|SCHEMBL545042|DTXSID40364911|NNZXUSFOILSDCS-UHFFFAOYSA-N|BCP26684|CL8464|AKOS015856296|AM84113|PS-7426|AC-25974|SY026861|A5442|FT-0651199|2-(3-Pyridyl)-1,3-thiazo

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-chloro-5-iodophenol | 289039-26-5 | Phenol, 2-chloro-5-iodo- | MFCD00672969 | 2-Chloro-5-iodopenol | SCHEMBL545042 | DTXSID40364911 | NNZXUSFOILSDCS-UHFFFAOYSA-N | BCP26684 | CL8464 | AKOS015856296 | AM84113 | PS-7426 | AC-25974 | SY026861 | A5442 | FT-0651199 | 2-(3-Pyridyl)-1, 3-thiazo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488191988
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191988
• Sonrisas canónicas: C1=CC(=C(C=C1I)O)Cl
• IUPAC Name: 2-chloro-5-iodophenol
• InChIKey: NNZXUSFOILSDCS-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClIO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H
• Isómeros SMILES: C1=CC(=C(C=C1I)O)Cl
• Peso molecular: 254.5
• Reaxy-Rn: 3236468
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3236468&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 O-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: O-chlorophenols
• Alternative Parents: M-iodophenols Iodobenzenes Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Aryl chlorides Organooxygen compounds Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-iodophenol - 2-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organoiodide - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-chlorophenols. These are chlorophenols carrying a iodine at the C2 position of the benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 254.450 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 253.9 Da
• Monoisotopic Mass: 253.9 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1